1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine

C13H25NO3S — CID 127364587

IUPAC1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C13H25NO3S/c1-11(2)12-5-7-14(8-6-12)18(15,16)10-13-4-3-9-17-13/h11-13H,3-10H2,1-2H3
InChIKeyGDGGSZKCNIHOMY-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.86
Rot. Bonds4

About 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine

1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine (PubChem CID 127364587) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine
PubChem CID127364587
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C13H25NO3S/c1-11(2)12-5-7-14(8-6-12)18(15,16)10-13-4-3-9-17-13/h11-13H,3-10H2,1-2H3
InChIKeyGDGGSZKCNIHOMY-UHFFFAOYSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine (CID 127364587) is 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(S(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine?
The InChIKey is GDGGSZKCNIHOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-11(2)12-5-7-14(8-6-12)18(15,16)10-13-4-3-9-17-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine?
1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine has a molecular weight of 275.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylsulfonyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 127364587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).